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Search term: XCYGCBVZSVXYON (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N~2~-Tetradecanoyl-D-asparagine | C18H34N2O4

N2-Tetradecanoyl-D-asparagine

  • Molecular FormulaC18H34N2O4
  • Average mass342.474 Da
  • Monoisotopic mass342.251862 Da
  • ChemSpider ID79536405

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D-Asparagine, N2-(1-oxotetradecyl)- [ACD/Index Name]
N2-Tetradecanoyl-D-asparagin [German] [ACD/IUPAC Name]
N2-Tetradecanoyl-D-asparagine [ACD/IUPAC Name]
N2-Tetradecanoyl-D-asparagine [French] [ACD/IUPAC Name]
colibactin prodrug motif

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 590.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 310.6±28.7 °C
Index of Refraction: 1.487
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 4.85
ACD/KOC (pH 5.5): 21.93
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 109 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 327.4±3.0 cm3

Click to predict properties on the Chemicalize site


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